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10130-23-1 molecular structure
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2-methyl-3-phenylquinoxaline

ChemBase ID: 298064
Molecular Formular: C15H12N2
Molecular Mass: 220.26918
Monoisotopic Mass: 220.10004839
SMILES and InChIs

SMILES:
Cc1c(nc2ccccc2n1)c1ccccc1
Canonical SMILES:
Cc1nc2ccccc2nc1c1ccccc1
InChI:
InChI=1S/C15H12N2/c1-11-15(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-11/h2-10H,1H3
InChIKey:
FPAQDFDMDUFBPS-UHFFFAOYSA-N

Cite this record

CBID:298064 http://www.chembase.cn/molecule-298064.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-3-phenylquinoxaline
IUPAC Traditional name
2-methyl-3-phenylquinoxaline
Synonyms
2-Methyl-3-phenylquinoxaline
2-甲基-3-苯基喹喔啉
CAS Number
10130-23-1
MDL Number
MFCD06653553
PubChem SID
180683595
PubChem CID
346903

DATA SOURCES

DATA SOURCES

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Data Source Data ID
PubChem 346903 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4633512  LogD (pH = 7.4) 3.463522 
Log P 3.4635243  Molar Refractivity 66.8061 cm3
Polarizability 28.99993 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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